D629-0168 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one

D629-0168 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one
D629-0168 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D629-0168
1-(4-benzylpiperazin-1-yl)-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D629-0168

Molecular Formula

C24H27N3O2S (C24 H27 N3 O2 S)

Compound Name

1-(4-benzylpiperazin-1-yl)-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one

IUPAC name

1-(4-benzylpiperazin-1-yl)-2-{2-[(4-methylphenoxy)methyl]-13-thiazol-4-yl}ethan-1-one

SMILES

Cc(cc1)ccc1OCc1nc(CC(N2CCN(Cc3ccccc3)CC2)=O)cs1

InChI

InChI=1S/C24H27N3O2S/c1-19-7-9-22(10-8-19)29-17-23-25-21(18-30-23)15-24(28)27-13-11-26(12-14-27)16-20-5-3-2-4-6-20/h2-10,18H,11-17H2,1H3

InChI Key

WEKVUKPNAWZFAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15142419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.001

Distribution Coefficient, logD

3.972

Water Solubility, LogSw

-3.98

Polar Surface Area

38.123

Acid Dissociation Constant (pKa)

21.26

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D629-0168 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D629-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D629-0168?
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What is the minimum amount of D629-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D629-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D629-0168
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D629-0168 available by request